Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

MetaCyc Compound: aflatoxin B2

Superclasses: a secondary metabolite a toxin a mycotoxin an aflatoxin

Chemical Formula: C17H14O6

Molecular Weight: 314.29 Daltons

Monoisotopic Molecular Weight: 314.079038182 Daltons

SMILES: COC1(C4(=C(C2(C3(CCOC(OC(C=1)=2)3)))OC(=O)C5(C(CCC4=5)=O)))

InChI: InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1

InChIKey: InChIKey=WWSYXEZEXMQWHT-WNWIJWBNSA-N

Unification Links: ChEBI:48209 , ChemSpider:2006507 , HMDB:HMDB35208 , KEGG:C16753 , KNApSAcK:C00023617 , MetaboLights:MTBLC48209 , PubChem:2724360

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -21.112326 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

aflatoxins B2 and G2 biosynthesis :
8-O-methyldihydrosterigmatocystin + 2 NADPH + 2 H+ + 2 oxygen → aflatoxin B2 + CO2 + methanol + 2 NADP+ + H2O


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Fri Dec 19, 2014, biocyc14.